From 6a14f8a00ba8a8bb33964f532564af280e8565a8 Mon Sep 17 00:00:00 2001 From: Stefan Bienert <stefan.bienert@unibas.ch> Date: Wed, 16 Mar 2022 09:25:43 +0100 Subject: [PATCH] Updated documentation --- run_af2/doc/html/.buildinfo | 2 +- run_af2/doc/html/.doctrees/environment.pickle | Bin 1724833 -> 1725270 bytes run_af2/doc/html/.doctrees/index.doctree | Bin 12414 -> 12366 bytes .../html/.doctrees/run_singularity.doctree | Bin 59854 -> 58060 bytes run_af2/doc/html/_shared.html | 6 +++--- .../doc/html/_static/documentation_options.js | 2 +- run_af2/doc/html/genindex.html | 6 +++--- run_af2/doc/html/index.html | 8 ++++---- run_af2/doc/html/objects.inv | Bin 398 -> 398 bytes run_af2/doc/html/py-modindex.html | 6 +++--- run_af2/doc/html/run_singularity.html | 12 ++++-------- run_af2/doc/html/search.html | 6 +++--- run_af2/doc/html/searchindex.js | 2 +- 13 files changed, 23 insertions(+), 27 deletions(-) diff --git a/run_af2/doc/html/.buildinfo b/run_af2/doc/html/.buildinfo index f48d85e..38d5a16 100644 --- a/run_af2/doc/html/.buildinfo +++ b/run_af2/doc/html/.buildinfo @@ -1,4 +1,4 @@ # Sphinx build info version 1 # This file hashes the configuration used when building these files. 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http://docutils.sourceforge.net/" /> - <title>_shared — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>_shared — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script> @@ -33,7 +33,7 @@ <li class="right" > <a href="index.html" title="Welcome to af2@scicore/run_af2’s documentation!" accesskey="P">previous</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">_shared</a></li> </ul> </div> @@ -129,7 +129,7 @@ and run tests on input with the <a class="reference external" href="https://docs <li class="right" > <a href="index.html" title="Welcome to af2@scicore/run_af2’s documentation!" >previous</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">_shared</a></li> </ul> </div> diff --git a/run_af2/doc/html/_static/documentation_options.js b/run_af2/doc/html/_static/documentation_options.js index b6936af..8d2a467 100644 --- a/run_af2/doc/html/_static/documentation_options.js +++ b/run_af2/doc/html/_static/documentation_options.js @@ -1,6 +1,6 @@ var DOCUMENTATION_OPTIONS = { URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), - VERSION: '2.1.1.dev0+gf71d760.d20220128', + VERSION: '3.0.0', LANGUAGE: 'None', COLLAPSE_INDEX: false, BUILDER: 'html', diff --git a/run_af2/doc/html/genindex.html b/run_af2/doc/html/genindex.html index 5252480..dc579e6 100644 --- a/run_af2/doc/html/genindex.html +++ b/run_af2/doc/html/genindex.html @@ -5,7 +5,7 @@ <head> <meta charset="utf-8" /> <meta name="viewport" content="width=device-width, initial-scale=1.0" /> - <title>Index — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>Index — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script> @@ -24,7 +24,7 @@ <li class="right" > <a href="py-modindex.html" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Index</a></li> </ul> </div> @@ -132,7 +132,7 @@ <li class="right" > <a href="py-modindex.html" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Index</a></li> </ul> </div> diff --git a/run_af2/doc/html/index.html b/run_af2/doc/html/index.html index 2948d20..ab2fe36 100644 --- a/run_af2/doc/html/index.html +++ b/run_af2/doc/html/index.html @@ -6,7 +6,7 @@ <meta charset="utf-8" /> <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" /> - <title>Welcome to af2@scicore/run_af2’s documentation! — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>Welcome to af2@scicore/run_af2’s documentation! — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script> @@ -29,7 +29,7 @@ <li class="right" > <a href="_shared.html" title="_shared" accesskey="N">next</a> |</li> - <li class="nav-item nav-item-0"><a href="#">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="#">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Welcome to af2@scicore/run_af2’s documentation!</a></li> </ul> </div> @@ -41,7 +41,7 @@ <section id="welcome-to-af2-scicore-run-af2-s-documentation"> <h1>Welcome to af2@scicore/run_af2’s documentation!<a class="headerlink" href="#welcome-to-af2-scicore-run-af2-s-documentation" title="Permalink to this headline">¶</a></h1> -<p>You are reading the documentation for version 2.1 (release 2.1.1.dev0+gf71d760.d20220128) +<p>You are reading the documentation for version 3.0 (release 3.0.0) of <strong>run_af2</strong>.</p> <p><strong>run_af2</strong> is a Python package to run the <a class="reference external" href="https://github.com/deepmind/alphafold">AlphaFold 2 (AF2) pipeline</a> on the sciCORE cluster.</p> <p>The package comes with two major parts: userland commands to just execute the @@ -114,7 +114,7 @@ Python modules is here:</p> <li class="right" > <a href="_shared.html" title="_shared" >next</a> |</li> - <li class="nav-item nav-item-0"><a href="#">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="#">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Welcome to af2@scicore/run_af2’s documentation!</a></li> </ul> </div> diff --git a/run_af2/doc/html/objects.inv b/run_af2/doc/html/objects.inv index 666257cb39691588373de8c16501fbb7b2c4231b..da87deccadcf6ae32fb4bb7723c80d095b84328d 100644 GIT binary patch delta 14 VcmeBU?qi<d&TOn_u+htf5da>I1I_>d delta 14 VcmeBU?qi<d&TOP-xY5gn5da>G1I_>d diff --git a/run_af2/doc/html/py-modindex.html b/run_af2/doc/html/py-modindex.html index 9cb928f..564376c 100644 --- a/run_af2/doc/html/py-modindex.html +++ b/run_af2/doc/html/py-modindex.html @@ -5,7 +5,7 @@ <head> <meta charset="utf-8" /> <meta name="viewport" content="width=device-width, initial-scale=1.0" /> - <title>Python Module Index — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>Python Module Index — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script> @@ -27,7 +27,7 @@ <li class="right" > <a href="#" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Python Module Index</a></li> </ul> </div> @@ -96,7 +96,7 @@ <li class="right" > <a href="#" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Python Module Index</a></li> </ul> </div> diff --git a/run_af2/doc/html/run_singularity.html b/run_af2/doc/html/run_singularity.html index b4b5a4a..6a7ddd3 100644 --- a/run_af2/doc/html/run_singularity.html +++ b/run_af2/doc/html/run_singularity.html @@ -6,7 +6,7 @@ <meta charset="utf-8" /> <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" /> - <title>run_singularity — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>run_singularity — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script> @@ -29,7 +29,7 @@ <li class="right" > <a href="_shared.html" title="_shared" accesskey="P">previous</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">run_singularity</a></li> </ul> </div> @@ -55,7 +55,7 @@ <dl class="py function"> <dt class="sig sig-object py" id="run_af2.run_singularity.run_af2_singularity_image"> -<span class="sig-prename descclassname"><span class="pre">run_af2.run_singularity.</span></span><span class="sig-name descname"><span class="pre">run_af2_singularity_image</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fasta_files</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_dir</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_template_date</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">db_preset</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'full_dbs'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model_preset</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'monomer'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_prokaryote_list</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_precomputed_msas</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">no_run_relax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gpu_relax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">af2_image_file</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">af2_image_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">snglrty_bin</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/usr/bin/singularity'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmpdir_var</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'TMPDIR'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extra_arg_list</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">data_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniref90_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/UniProt/latest/uniref/uniref90/uniref90.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mgnify_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/MGnify/frozen_210805T103002/mgy_clusters_2018_12.fa'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bfd_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/BFD/frozen_210805T085238/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">small_bfd_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/BFD_small/frozen_210812T135116/bfd-first_non_consensus_sequences.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniclust30_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/Uniclust/frozen_181015T170110/uniclust30_2018_08/uniclust30_2018_08'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniprot_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/uniprot/uniprot.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pdb70_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/PDB70/frozen_210805T142857/pdb70'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pdb_seqres_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_seqres/pdb_seqres.txt'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">template_mmcif_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/mmcif_files/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">obsolete_pdbs_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/obsolete.dat'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#run_af2.run_singularity.run_af2_singularity_image" title="Permalink to this definition">¶</a></dt> +<span class="sig-prename descclassname"><span class="pre">run_af2.run_singularity.</span></span><span class="sig-name descname"><span class="pre">run_af2_singularity_image</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">fasta_files</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_dir</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_template_date</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">db_preset</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'full_dbs'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model_preset</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'monomer'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_precomputed_msas</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">no_run_relax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gpu_relax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">af2_image_file</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">af2_image_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">snglrty_bin</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/usr/bin/singularity'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">tmpdir_var</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'TMPDIR'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extra_arg_list</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">data_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniref90_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/UniProt/latest/uniref/uniref90/uniref90.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mgnify_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/MGnify/frozen_210805T103002/mgy_clusters_2018_12.fa'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bfd_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/BFD/frozen_210805T085238/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">small_bfd_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/BFD_small/frozen_210812T135116/bfd-first_non_consensus_sequences.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniclust30_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/Uniclust/frozen_181015T170110/uniclust30_2018_08/uniclust30_2018_08'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">uniprot_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/uniprot/uniprot.fasta'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pdb70_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/data/managed/PDB70/frozen_210805T142857/pdb70'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pdb_seqres_database_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_seqres/pdb_seqres.txt'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">template_mmcif_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/mmcif_files/'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">obsolete_pdbs_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'/scicore/home/schwede/GROUP/alphafold_data/pdb_mmcif/obsolete.dat'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#run_af2.run_singularity.run_af2_singularity_image" title="Permalink to this definition">¶</a></dt> <dd><p>Run the AlphaFold 2 Singularity image on host.</p> <p>The keyword arguments all come with defaults to run on the sciCORE cluster.</p> <p>If the Singularity container fails, a <a class="reference external" href="https://docs.python.org/3/library/exceptions.html#RuntimeError" title="(in Python v3.10)"><code class="xref py py-class docutils literal notranslate"><span class="pre">RuntimeError</span></code></a> will be @@ -79,10 +79,6 @@ templates are included.</p></li> (full_dbs). Corresponds to the db_preset parameter in AF2.</p></li> <li><p><strong>model_preset</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.10)"><code class="xref py py-class docutils literal notranslate"><span class="pre">str</span></code></a>) – Model configuration - corresponds to the model_preset parameter in AF2.</p></li> -<li><p><strong>is_prokaryote_list</strong> (<a class="reference external" href="https://docs.python.org/3/library/stdtypes.html#str" title="(in Python v3.10)"><code class="xref py py-class docutils literal notranslate"><span class="pre">str</span></code></a> like needed by AF2, e.g. -“true,false,true”) – For the multimer model, mark sequences as -prokaryotic. Corresponds to the -is_prokaryote_list parameter in AF2.</p></li> <li><p><strong>use_precomputed_msas</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#bool" title="(in Python v3.10)"><code class="xref py py-class docutils literal notranslate"><span class="pre">bool</span></code></a>) – Use existing MSAs from cwd. Corresponds to the use_precomputed_msas parameter in AF2.</p></li> <li><p><strong>no_run_relax</strong> (<a class="reference external" href="https://docs.python.org/3/library/functions.html#bool" title="(in Python v3.10)"><code class="xref py py-class docutils literal notranslate"><span class="pre">bool</span></code></a>) – Disable relaxation at the end of modelling. @@ -190,7 +186,7 @@ in AF2.</p></li> <li class="right" > <a href="_shared.html" title="_shared" >previous</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">run_singularity</a></li> </ul> </div> diff --git a/run_af2/doc/html/search.html b/run_af2/doc/html/search.html index 77949bb..6026243 100644 --- a/run_af2/doc/html/search.html +++ b/run_af2/doc/html/search.html @@ -5,7 +5,7 @@ <head> <meta charset="utf-8" /> <meta name="viewport" content="width=device-width, initial-scale=1.0" /> - <title>Search — af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</title> + <title>Search — af2@scicore/run_af2 3.0.0 documentation</title> <link rel="stylesheet" type="text/css" href="_static/pygments.css" /> <link rel="stylesheet" type="text/css" href="_static/sphinxdoc.css" /> @@ -30,7 +30,7 @@ <li class="right" > <a href="py-modindex.html" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Search</a></li> </ul> </div> @@ -89,7 +89,7 @@ <li class="right" > <a href="py-modindex.html" title="Python Module Index" >modules</a> |</li> - <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 2.1.1.dev0+gf71d760.d20220128 documentation</a> »</li> + <li class="nav-item nav-item-0"><a href="index.html">af2@scicore/run_af2 3.0.0 documentation</a> »</li> <li class="nav-item nav-item-this"><a href="">Search</a></li> </ul> </div> diff --git a/run_af2/doc/html/searchindex.js b/run_af2/doc/html/searchindex.js index 4ee921d..05d7b61 100644 --- a/run_af2/doc/html/searchindex.js +++ b/run_af2/doc/html/searchindex.js @@ -1 +1 @@ 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